%chk=000079872.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079872

0 1
 O    3.490700     -0.9234000     -0.1620000    
 O   -3.761900      -1.109500       1.120900    
 O   -3.772000     -9.7800002E-02 -0.9126000    
 N    1.057300      0.5221000      0.1388000    
 C    1.273100     -0.3931000     -0.9904000    
 C    2.341400       1.076600      0.5899000    
 C   0.1312000       1.590900     -0.2292000    
 C    2.251400      -1.492300     -0.5861000    
 C    3.295200     -5.6899998E-02  0.9562000    
 C   -1.229200       1.004700     -0.6090000    
 C   -1.863400      0.2158000      0.5326000    
 C   -3.214000     -0.3372000      0.1508000    
 H   0.5179000       2.188300      -1.064700    
 H  -6.6000000E-03   2.272600      0.6196000    
 H    1.672000      0.1524000      -1.855400    
 H   0.3553000     -0.9017000      -1.296800    
 H    2.193100       1.713900       1.469200    
 H    2.790500       1.689200     -0.2027000    
 H    1.844800      -2.122500      0.2145000    
 H    2.460100      -2.140200      -1.443600    
 H    4.271500      0.3527000       1.234300    
 H    2.924300     -0.6381000       1.809200    
 H   -1.191800      0.4148000      -1.530900    
 H   -1.890400       1.848300     -0.8521000    
 H   -1.996600      0.8618000       1.407400    
 H   -1.233800     -0.6357000      0.8114000    
 H   -4.644100      -1.451600      0.8623000    


%chk=000079872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079872

0 1
O 3.518546 -1.017276 -0.085842
O -3.907295 -0.741476 1.349309
O -3.336926 -1.021924 -0.881384
N 1.053006 0.525827 0.000923
C 1.383988 -0.338027 -1.164200
C 2.301423 1.021181 0.639353
C 0.112575 1.624228 -0.334437
C 2.280267 -1.503834 -0.716721
C 3.181126 -0.165030 1.065933
C -1.320419 1.119053 -0.609978
C -1.887085 0.339113 0.594361
C -3.078134 -0.518564 0.236238
H 0.467234 2.214957 -1.216633
H 0.094627 2.317379 0.529736
H 1.909078 0.247036 -1.961128
H 0.454442 -0.747698 -1.599241
H 2.034803 1.621864 1.529941
H 2.885912 1.675022 -0.056068
H 1.722737 -2.145521 -0.000272
H 2.606542 -2.108217 -1.578966
H 4.146621 0.180720 1.470954
H 2.646766 -0.766011 1.833513
H -1.346113 0.469914 -1.503737
H -1.963144 1.989441 -0.842872
H -2.158280 1.004245 1.432766
H -1.082530 -0.328647 0.970446
H -4.653769 -1.343654 1.079608


